SCHEMBL13601845

SCHEMBL13601845

Cc1cc(-c2nc(-c3ccc(CO)c(CO)c3)no2)ccc1-c1ccccc1OC(F)(F)F

nearest known ligand 0.71

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 19/20 0.71
KDM4E B2RXH2 1/20 0.45
NPC1 O15118 1/20 0.45
ALDH1A1 P00352 1/20 0.45
HPGD P15428 1/20 0.45
TSHR P16473 1/20 0.45
RAB9A P51151 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
HSD17B10 Q99714 1/20 0.45

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL13601853 0.85 S1PR1 (0.64) S1PR1
SCHEMBL13601852 0.84 S1PR1 (0.56) S1PR1NPC1RAB9ASMN1; SMN2
SCHEMBL3759388 0.83 S1PR1 (1.00) S1PR1KDM4ENPC1ALDH1A1HPGD
SCHEMBL3759437 0.83 S1PR1 (0.85) S1PR1KDM4ENPC1ALDH1A1HPGD
SCHEMBL4498851 0.82 S1PR1 (0.56) S1PR1KDM4ENPC1ALDH1A1RAB9A
SCHEMBL13601868 0.82 S1PR1 (0.54) S1PR1
SCHEMBL13601863 0.81 S1PR1 (0.52) S1PR1NPC1RAB9ASMN1; SMN2
SCHEMBL13601893 0.81 S1PR1 (0.47) S1PR1
SCHEMBL13601873 0.81 S1PR1 (0.49) S1PR1
SCHEMBL13601600 0.80 S1PR1 (0.49) S1PR1NPC1RAB9ASMN1; SMN2NPSR1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090298894-A1 AMINO ACID COMPOUNDS ASAHI KASEI PHARMA CORPORATION (JP) 2009-12-03 US disclosed
US-20090298894-A1 AMINO ACID COMPOUNDS ASAHI KASEI PHARMA CORPORATION (JP) 2009-12-03 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090298894-A1 AMINO ACID COMPOUNDS S1PR1, S1PR2, S1PR5 S1PR1 1/4885KDM4E 3224/4885NPC1 691/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.